==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-08 2VTS . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M > 0 0 34 0, 0.0 3,-3.4 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 137.9 13.7 5.5 75.6 2 2 A E T 3 + 0 0 143 1,-0.3 22,-0.1 22,-0.0 3,-0.0 0.534 360.0 61.4 -45.5 -27.0 13.8 4.4 79.2 3 3 A N T 3 S+ 0 0 65 1,-0.1 21,-2.6 20,-0.1 22,-0.4 0.582 101.8 61.5 -80.2 -3.4 16.1 1.5 78.7 4 4 A F E < -A 23 0A 16 -3,-3.4 2,-0.6 19,-0.2 19,-0.2 -0.971 64.0-154.6-130.3 128.3 18.9 3.7 77.4 5 5 A Q E -A 22 0A 96 17,-2.1 17,-2.2 -2,-0.4 2,-0.1 -0.876 25.7-129.7 -95.2 121.0 20.8 6.5 79.1 6 6 A K E -A 21 0A 90 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.394 25.0-179.5 -59.8 142.2 22.2 9.0 76.6 7 7 A V E - 0 0 71 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.707 64.3 -22.6-110.6 -40.0 25.9 9.6 77.2 8 8 A E E -A 20 0A 106 12,-1.4 12,-3.2 0, 0.0 2,-0.4 -0.987 62.5 -99.0-165.4 151.6 26.4 12.2 74.4 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.658 34.1-175.0 -70.4 120.0 25.2 13.5 71.0 10 10 A I E - 0 0 65 8,-3.3 9,-0.2 -2,-0.4 2,-0.2 0.300 56.3 -34.9-108.8 11.4 27.4 11.8 68.4 11 11 A G E -A 18 0A 29 7,-0.9 7,-3.0 2,-0.0 2,-0.4 -0.633 52.9-100.7 149.9 154.1 26.1 13.6 65.3 12 12 A E E -A 17 0A 113 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.807 42.4-166.1 -89.5 140.1 23.1 15.1 63.4 13 13 A G - 0 0 23 3,-2.4 -2,-0.0 -2,-0.4 5,-0.0 -0.601 35.5-105.0-115.0-179.7 21.6 12.9 60.6 14 14 A T S S+ 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.960 123.8 31.2 -62.2 -51.5 19.3 13.2 57.7 15 15 A Y S S- 0 0 66 1,-0.2 21,-0.9 20,-0.0 2,-0.3 0.596 131.8 -58.3 -90.8 -12.9 16.5 11.5 59.6 16 16 A G S S- 0 0 25 19,-0.2 -3,-2.4 17,-0.0 -1,-0.2 -0.996 71.3 -35.3 164.3-166.0 17.4 12.7 63.1 17 17 A V E -A 12 0A 34 -2,-0.3 17,-2.4 17,-0.3 2,-0.5 -0.515 44.1-143.3 -86.0 150.5 19.9 13.0 65.9 18 18 A V E -AB 11 33A 18 -7,-3.0 -8,-3.3 15,-0.2 -7,-0.9 -0.977 17.1-170.0-118.1 127.8 22.4 10.3 66.8 19 19 A Y E -AB 9 32A 43 13,-2.7 13,-3.3 -2,-0.5 2,-0.4 -0.895 25.9-131.6-115.1 143.6 23.4 9.6 70.4 20 20 A K E +AB 8 31A 44 -12,-3.2 -13,-2.8 -2,-0.4 -12,-1.4 -0.781 47.4 172.0 -78.8 134.4 26.0 7.4 72.0 21 21 A A E -AB 6 30A 0 9,-2.9 9,-2.8 -2,-0.4 2,-0.5 -0.959 32.5-130.9-148.4 159.9 24.0 5.6 74.6 22 22 A R E -AB 5 29A 93 -17,-2.2 -17,-2.1 -2,-0.3 2,-0.5 -0.976 18.9-135.1-120.8 124.6 24.3 2.8 77.2 23 23 A N E > -A 4 0A 11 5,-3.1 4,-2.0 -2,-0.5 -19,-0.2 -0.749 10.7-157.7 -72.2 126.0 21.7 0.0 77.5 24 24 A K T 4 S+ 0 0 131 -21,-2.6 -1,-0.1 -2,-0.5 -20,-0.1 0.831 89.9 47.9 -75.9 -28.3 20.9 -0.5 81.2 25 25 A L T 4 S+ 0 0 121 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.594 128.1 23.9 -95.0 -7.7 19.7 -4.1 80.8 26 26 A T T 4 S- 0 0 89 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.552 91.5-135.7-121.1 -15.6 22.6 -5.3 78.7 27 27 A G < + 0 0 39 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.351 57.6 143.3 67.2 -2.5 25.3 -2.7 79.8 28 28 A E - 0 0 113 -6,-0.1 -5,-3.1 1,-0.0 2,-0.3 -0.355 48.2-134.0 -70.4 144.2 26.1 -2.5 76.1 29 29 A V E +B 22 0A 35 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.763 38.3 158.3 -98.1 144.9 27.2 0.9 74.6 30 30 A V E -BC 21 74A 3 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.5 -0.952 45.7 -96.4-149.6-177.5 25.6 1.9 71.3 31 31 A A E -BC 20 73A 10 42,-2.2 42,-3.2 -2,-0.3 2,-0.6 -0.890 35.6-162.5-116.8 122.7 24.5 4.4 68.7 32 32 A L E -BC 19 72A 0 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.5 -0.951 2.3-162.6-111.6 109.3 20.9 5.4 69.1 33 33 A K E -BC 18 71A 31 38,-3.0 38,-2.1 -2,-0.6 2,-0.6 -0.864 6.7-150.5 -96.1 127.4 19.2 7.1 66.2 34 34 A K E - C 0 70A 53 -17,-2.4 2,-0.3 -2,-0.5 -17,-0.3 -0.912 15.4-158.3 -91.6 120.3 16.0 9.1 66.6 35 35 A I E C 0 69A 13 34,-2.8 34,-0.9 -2,-0.6 -19,-0.2 -0.717 360.0 360.0 -98.7 150.7 13.8 9.1 63.5 36 36 A R 0 0 235 -21,-0.9 32,-0.0 -2,-0.3 -2,-0.0 0.287 360.0 360.0 14.8 360.0 11.1 11.7 62.7 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 45 A P >> 0 0 113 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 130.1 4.5 4.2 57.9 39 46 A S H 3> + 0 0 71 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.828 360.0 65.9 -59.1 -35.1 4.3 0.4 58.3 40 47 A T H 3> S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.912 102.5 47.2 -48.6 -48.0 6.2 0.2 55.0 41 48 A A H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.847 110.1 54.8 -63.8 -33.9 9.1 1.8 56.8 42 49 A I H X S+ 0 0 42 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.947 111.3 42.3 -63.7 -47.7 8.5 -0.7 59.6 43 50 A R H X S+ 0 0 144 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.919 112.0 54.1 -69.1 -40.6 8.8 -3.7 57.3 44 51 A E H X S+ 0 0 52 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.928 110.8 46.0 -55.3 -51.6 11.7 -2.3 55.4 45 52 A I H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.830 106.2 58.7 -64.4 -31.7 13.7 -1.9 58.5 46 53 A S H < S+ 0 0 46 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.855 103.5 54.7 -67.9 -31.4 12.8 -5.3 59.8 47 54 A L H >X S+ 0 0 104 -4,-1.8 3,-1.4 -3,-0.3 4,-0.7 0.910 104.3 53.9 -58.9 -47.4 14.4 -6.6 56.7 48 55 A L H 3< S+ 0 0 15 -4,-1.4 3,-0.4 1,-0.3 11,-0.3 0.784 95.4 66.1 -60.7 -33.3 17.6 -4.7 57.5 49 56 A K T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.732 103.0 51.8 -65.2 -16.2 17.8 -6.3 60.9 50 57 A E T <4 S+ 0 0 138 -3,-1.4 2,-1.6 -4,-0.4 -1,-0.2 0.768 85.5 84.2 -91.9 -25.7 18.4 -9.5 59.0 51 58 A L < + 0 0 18 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.1 -0.577 61.4 174.6 -84.3 87.7 21.2 -8.5 56.7 52 59 A N + 0 0 71 -2,-1.6 5,-0.1 6,-0.1 6,-0.1 -0.769 6.6 154.5 -97.6 128.7 24.1 -9.1 59.0 53 60 A H > - 0 0 41 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.949 51.4-120.7-151.9 142.0 27.7 -8.7 57.6 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.685 117.0 49.6 -51.9 -30.7 31.0 -7.9 59.3 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.2 48,-0.1 2,-0.4 0.148 97.6 78.7-101.5 26.2 31.2 -4.8 57.1 56 63 A I B < S-e 136 0B 8 -3,-2.1 -3,-0.4 79,-0.2 81,-0.2 -0.992 92.1-109.9-127.8 124.8 27.7 -3.5 57.8 57 64 A V - 0 0 9 79,-2.7 2,-0.2 -2,-0.4 82,-0.1 -0.423 46.7-110.9 -49.1 121.2 27.1 -1.6 61.1 58 65 A K - 0 0 102 -2,-0.1 16,-2.4 -4,-0.1 2,-0.8 -0.479 17.5-141.9 -66.2 128.5 24.9 -4.1 63.0 59 66 A L E +D 73 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.828 24.6 179.2 -83.1 108.2 21.3 -3.1 63.6 60 67 A L E - 0 0 45 12,-2.8 2,-0.3 -2,-0.8 13,-0.2 0.944 57.2 -4.0 -79.1 -45.6 20.7 -4.3 67.2 61 68 A D E -D 72 0A 75 11,-1.5 11,-2.8 2,-0.0 2,-0.5 -0.998 49.9-146.1-154.9 139.3 17.1 -3.4 67.9 62 69 A V E -D 71 0A 32 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.964 20.7-165.6-108.0 124.2 14.2 -1.5 66.3 63 70 A I E +D 70 0A 21 7,-2.5 7,-2.3 -2,-0.5 2,-1.0 -0.900 15.3 174.4-117.6 97.9 12.1 0.3 68.9 64 71 A H E +D 69 0A 108 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.795 28.6 152.3 -99.9 80.6 8.7 1.4 67.7 65 72 A T E > -D 68 0A 56 -2,-1.0 3,-2.3 3,-0.8 -2,-0.1 -0.903 61.3 -7.3-116.9 145.7 7.4 2.7 71.0 66 73 A E T 3 S- 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.715 123.6 -63.5 39.6 33.8 4.9 5.4 71.8 67 74 A N T 3 S+ 0 0 139 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.725 112.9 99.8 69.0 24.2 4.8 6.3 68.1 68 75 A K E < - D 0 65A 127 -3,-2.3 -3,-0.8 -5,-0.1 2,-0.5 -0.862 66.9-125.7-121.7 168.1 8.4 7.5 67.6 69 76 A L E -CD 35 64A 17 -34,-0.9 -34,-2.8 -2,-0.3 2,-0.5 -0.950 22.7-178.2-124.1 123.3 11.1 5.4 66.0 70 77 A Y E -CD 34 63A 34 -7,-2.3 -7,-2.5 -2,-0.5 2,-0.5 -0.957 9.6-160.4-117.4 132.1 14.5 4.5 67.5 71 78 A L E -CD 33 62A 0 -38,-2.1 -38,-3.0 -2,-0.5 2,-0.6 -0.935 7.6-155.7-109.9 124.9 17.2 2.4 65.8 72 79 A V E +CD 32 61A 1 -11,-2.8 -12,-2.8 -2,-0.5 -11,-1.5 -0.928 20.0 177.0-100.8 118.5 19.9 0.9 68.0 73 80 A F E -CD 31 59A 13 -42,-3.2 -42,-2.2 -2,-0.6 -14,-0.2 -0.800 39.3 -88.8-112.9 159.8 23.1 0.2 66.2 74 81 A E E -C 30 0A 49 -16,-2.4 2,-0.3 -2,-0.3 -44,-0.2 -0.345 51.4-119.1 -55.3 144.5 26.5 -1.2 67.2 75 82 A F - 0 0 37 -46,-0.6 2,-0.3 -45,-0.1 -46,-0.1 -0.730 29.5-173.2 -93.6 138.3 28.8 1.8 68.2 76 83 A L - 0 0 17 -2,-0.3 53,-0.1 53,-0.1 -46,-0.0 -0.967 22.5-134.6-130.0 151.3 32.0 2.6 66.4 77 84 A H S S+ 0 0 99 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.598 76.2 17.8 -90.1 -17.6 34.5 5.2 67.6 78 85 A Q E -F 128 0B 12 50,-1.0 50,-2.4 206,-0.1 2,-0.3 -0.983 61.1-139.2-145.6 156.8 35.4 7.1 64.4 79 86 A D E > -F 127 0B 48 -2,-0.3 4,-1.7 48,-0.3 48,-0.3 -0.782 31.8-110.0-110.0 169.0 34.1 7.7 60.9 80 87 A L H > S+ 0 0 0 46,-2.5 4,-3.0 43,-0.9 5,-0.2 0.795 112.3 60.3 -72.1 -30.2 36.2 8.0 57.7 81 88 A K H > S+ 0 0 59 42,-0.8 4,-2.7 45,-0.4 5,-0.2 0.986 108.4 43.2 -62.0 -54.5 35.7 11.7 57.2 82 89 A K H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 115.7 50.0 -53.1 -43.2 37.3 12.6 60.5 83 90 A F H X S+ 0 0 9 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.895 110.1 50.0 -64.3 -46.3 40.1 10.0 59.8 84 91 A M H < S+ 0 0 21 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.901 111.4 47.6 -53.7 -53.9 40.6 11.5 56.4 85 92 A D H >< S+ 0 0 93 -4,-2.7 3,-0.9 1,-0.2 4,-0.2 0.892 114.2 49.7 -56.3 -40.7 40.8 15.0 57.8 86 93 A A H 3< S+ 0 0 68 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.711 112.7 45.7 -66.0 -30.0 43.2 13.5 60.4 87 94 A S T 3X S+ 0 0 16 -4,-1.5 4,-5.0 -3,-0.2 -1,-0.2 0.241 84.4 104.4 -96.1 13.9 45.4 11.8 57.8 88 95 A A T <4 S+ 0 0 37 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.1 0.834 72.3 52.8 -74.8 -35.1 45.5 14.8 55.5 89 96 A L T 4 S+ 0 0 147 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.889 132.0 17.5 -68.6 -29.7 49.1 16.1 56.1 90 97 A T T 4 S- 0 0 109 -3,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.686 103.5-129.5-115.5 -23.1 50.3 12.6 55.3 91 98 A G < - 0 0 12 -4,-5.0 -3,-0.1 -7,-0.2 92,-0.1 0.352 38.1 -69.9 73.4 145.0 47.5 10.8 53.5 92 99 A I - 0 0 11 90,-0.5 5,-0.1 1,-0.1 93,-0.0 -0.469 62.1-103.5 -63.1 124.1 46.1 7.4 54.4 93 100 A P >> - 0 0 81 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.233 28.7-119.8 -49.7 140.2 48.8 4.8 53.6 94 101 A L H 3> S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.786 111.2 60.3 -55.8 -34.0 47.8 3.0 50.3 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 181,-0.4 0.898 109.3 43.6 -66.8 -27.8 47.7 -0.5 52.0 96 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.809 112.0 52.0 -80.6 -38.8 45.0 0.9 54.4 97 104 A I H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.951 112.6 48.2 -59.1 -48.0 43.1 2.6 51.5 98 105 A K H X S+ 0 0 13 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.917 112.2 46.4 -56.7 -52.4 43.3 -0.8 49.8 99 106 A S H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 113.3 49.9 -55.9 -46.5 42.0 -2.7 52.7 100 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.932 112.3 46.7 -59.5 -52.5 39.2 -0.2 53.3 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.906 113.1 50.0 -52.8 -44.3 38.1 -0.3 49.7 102 109 A F H X S+ 0 0 55 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.925 111.2 47.1 -65.6 -48.0 38.2 -4.2 49.7 103 110 A Q H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.884 112.9 49.5 -59.3 -46.1 36.2 -4.6 52.9 104 111 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.921 108.6 53.0 -59.3 -49.2 33.6 -2.0 51.6 105 112 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.834 107.9 51.9 -50.9 -38.8 33.4 -3.9 48.3 106 113 A Q H X S+ 0 0 68 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.933 110.1 47.7 -65.5 -43.9 32.7 -7.0 50.4 107 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.888 114.1 48.3 -61.3 -40.2 29.9 -5.3 52.3 108 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.943 107.3 53.4 -66.4 -46.7 28.5 -4.0 49.0 109 116 A A H X S+ 0 0 23 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.916 112.5 47.1 -56.4 -40.5 28.7 -7.4 47.3 110 117 A F H X S+ 0 0 46 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.991 115.1 43.2 -61.1 -62.6 26.7 -8.8 50.2 111 118 A C H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.4 0.858 116.6 48.3 -49.2 -47.0 24.0 -6.1 50.3 112 119 A H H ><5S+ 0 0 26 -4,-3.4 3,-1.7 3,-0.2 -1,-0.2 0.801 102.7 60.4 -69.2 -34.9 23.7 -6.1 46.5 113 120 A S H 3<5S+ 0 0 75 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.766 108.5 47.0 -65.0 -22.6 23.4 -9.9 46.4 114 121 A H T 3<5S- 0 0 92 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.148 122.1-110.8 -97.6 12.7 20.2 -9.4 48.5 115 122 A R T < 5S+ 0 0 203 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.712 73.9 136.7 67.6 25.7 19.0 -6.6 46.3 116 123 A V < - 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